Information card for entry 7153084

Structure parameters

• Formula: C25 H28 N2 O4
• Calculated formula: C25 H28 N2 O4
• SMILES: N1(C[C@@H](N2[C@H]3[C@@H]([C@H]([C@@H]12)C(=O)OCC)CCOC3=O)c1ccccc1)Cc1ccccc1
• Title of publication: Cycloaddition of homochiral dihydroimidazoles: a 1,3-dipolar cycloaddition route to optically active pyrrolo[1,2-a]imidazoles.
• Authors of publication: Jones, Raymond C. F.; Howard, Kevin J.; Snaith, John S.; Blake, Alexander J.; Li, Wang-Shei; Steel, Peter J.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 297 - 306
• a: 11.351 ± 0.002 Å
• b: 9.7612 ± 0.001 Å
• c: 19.942 ± 0.003 Å
• α: 90°
• β: 91.07 ± 0.02°
• γ: 90°
• Cell volume: 2209.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections: 0.141
• Weighted residual factors for significantly intense reflections: 0.1
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No